6,7-diethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[3-(4-morpholin-4-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCOCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCOCC3)OCC

InChI

InChI=1S/C19H27N3O4S/c1-3-25-16-12-14-15(13-17(16)26-4-2)20-19(27)22(18(14)23)7-5-6-21-8-10-24-11-9-21/h12-13H,3-11H2,1-2H3,(H,20,27)/p+1